5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene

C25H25FO6S — CID 162078160

IUPAC5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(S(=O)(=O)Cc2ccccc2/C=C\c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C25H25FO6S/c1-29-22-12-11-20(15-21(22)26)33(27,28)16-19-8-6-5-7-18(19)10-9-17-13-23(30-2)25(32-4)24(14-17)31-3/h5-15H,16H2,1-4H3/b10-9-
InChIKeyCGLXRAZXUIVJHK-KTKRTIGZSA-N
MW472.53 g/mol
LogP5.00
Rot. Bonds9

About 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene

5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 162078160) has the molecular formula C25H25FO6S and a molecular weight of 472.53 g/mol. Its IUPAC name is 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
PubChem CID162078160
Molecular FormulaC25H25FO6S
Molecular Weight472.53 g/mol
Exact Mass472.14
IUPAC Name5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(S(=O)(=O)Cc2ccccc2/C=C\c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C25H25FO6S/c1-29-22-12-11-20(15-21(22)26)33(27,28)16-19-8-6-5-7-18(19)10-9-17-13-23(30-2)25(32-4)24(14-17)31-3/h5-15H,16H2,1-4H3/b10-9-
InChIKeyCGLXRAZXUIVJHK-KTKRTIGZSA-N
XLogP5.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 158675985
4-[[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]aniline
CID 162078157
1,2,3-trimethoxy-5-[(Z)-2-[2-[(4-nitrophenyl)sulfonylmethyl]phenyl]ethenyl]benzene
CID 158675988
4-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 157346582
4-[(4-chlorophenyl)sulfonylmethyl]-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159528223
2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159313001
5-[(Z)-2-[2-[(3-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-chlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dichlorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[4,5-dimethoxy-2-[(4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(3,4-dimethoxyphenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene;5-[(Z)-2-[2-[(4-fluorophenyl)sulfonylmethyl]-4,5-dimethoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 159894333
6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]phenol
CID 159050688
3-[(3-tert-butylphenyl)sulfonylmethyl]-2-fluoro-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;2-fluoro-3-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;2-fluoro-1-methoxy-3-[(4-methoxy-3-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene;5-[[2-fluoro-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methylsulfonyl]-2-methoxyphenol;2-fluoro-1-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-[(3,4,5-trimethoxyphenyl)sulfonylmethyl]benzene
CID 158115262
3-[(3-chloro-4-methoxyphenyl)sulfonylmethyl]-2-methoxy-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 159347898
2-[(3-chlorophenyl)sulfonylmethyl]-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 162018872
1-[(4-methylphenyl)sulfonylmethyl]-2-[(E)-2-phenylethenyl]benzene
CID 10882589

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene (CID 162078160) is 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(S(=O)(=O)Cc2ccccc2/C=C\c2cc(OC)c(OC)c(OC)c2)cc1F.
What is the InChIKey of 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is CGLXRAZXUIVJHK-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H25FO6S/c1-29-22-12-11-20(15-21(22)26)33(27,28)16-19-8-6-5-7-18(19)10-9-17-13-23(30-2)25(32-4)24(14-17)31-3/h5-15H,16H2,1-4H3/b10-9-.
What are the key properties of 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 472.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[2-[(3-fluoro-4-methoxyphenyl)sulfonylmethyl]phenyl]ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 162078160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).